heptyl 6-(2-chlorophenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: heptyl 6-(2-chlorophenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: heptyl 6-(2-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: 6-(2-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid heptyl ester IUPAC Name: heptyl 6-(2-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: 6-(2-chlorophenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid heptyl ester Formula: C23H28ClNO3 MolecularWeight: 401.92632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3Cl)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C23H28ClNO3/c1-3-4-5-6-9-12-28-23(27)22-15(2)21-19(25-22)13-16(14-20(21)26)17-10-7-8-11-18(17)24/h7-8,10-11,16,25H,3-6,9,12-14H2,1-2H3